hexan-2-yloxy(trimethyl)azanium

C9H22NO+ — CID 174727929

IUPAChexan-2-yloxy(trimethyl)azanium
SMILESCCCCC(C)O[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-7-8-9(2)11-10(3,4)5/h9H,6-8H2,1-5H3/q+1
InChIKeyURNLTGJXCXSVGP-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.20
Rot. Bonds5

About hexan-2-yloxy(trimethyl)azanium

hexan-2-yloxy(trimethyl)azanium (PubChem CID 174727929) has the molecular formula C9H22NO+ and a molecular weight of 160.28 g/mol. Its IUPAC name is hexan-2-yloxy(trimethyl)azanium.

Molecular Properties

Compound Namehexan-2-yloxy(trimethyl)azanium
PubChem CID174727929
Molecular FormulaC9H22NO+
Molecular Weight160.28 g/mol
Exact Mass160.17
IUPAC Namehexan-2-yloxy(trimethyl)azanium
SMILESCCCCC(C)O[N+](C)(C)C
InChIInChI=1S/C9H22NO/c1-6-7-8-9(2)11-10(3,4)5/h9H,6-8H2,1-5H3/q+1
InChIKeyURNLTGJXCXSVGP-UHFFFAOYSA-N
XLogP2.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(propyl)azanium;trimethyl(tetradecan-2-yloxy)azanium;dichloride
CID 141319254
trimethyl(octadecan-2-yloxy)azanium;trimethyl(propyl)azanium;dichloride
CID 141319246
N-dodecan-2-yloxy-N-methylmethanamine oxide
CID 141082874
ethane;2-methoxyhexane
CID 91199174
2-hexan-2-yloxy-5-methylhexane
CID 91272362
tri(hexan-2-yloxy)alumane
CID 141281551
2-butoxyhexane;ethane
CID 144590910
diethyl-hexadecan-2-yloxy-methylazanium;diethyl-methyl-propylazanium;dichloride
CID 141398272
hexan-2-yl methanimidate
CID 123742650
1-hexan-2-yloxydecane
CID 57029724
hexan-2-yloxyboronic acid
CID 159771152
tributyl(methyl)phosphanium
CID 2760115

Frequently Asked Questions

What is the IUPAC name of hexan-2-yloxy(trimethyl)azanium?
The IUPAC name of hexan-2-yloxy(trimethyl)azanium (CID 174727929) is hexan-2-yloxy(trimethyl)azanium.
What is the SMILES notation for hexan-2-yloxy(trimethyl)azanium?
The canonical SMILES for hexan-2-yloxy(trimethyl)azanium is CCCCC(C)O[N+](C)(C)C.
What is the InChIKey of hexan-2-yloxy(trimethyl)azanium?
The InChIKey is URNLTGJXCXSVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO/c1-6-7-8-9(2)11-10(3,4)5/h9H,6-8H2,1-5H3/q+1.
What are the key properties of hexan-2-yloxy(trimethyl)azanium?
hexan-2-yloxy(trimethyl)azanium has a molecular weight of 160.28 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-2-yloxy(trimethyl)azanium is sourced from PubChem (CID 174727929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).